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Tert-Butyl Carbazate
CAS: 870-46-2 | C5H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
870-46-2
Molecular Formula:
C5H12N2O2
Molecular Mass:
132.16 g/mol
Names and Synonyms:
Tert-Butyl Carbazate
Hydrazinecarboxylic acid, 1,1-dimethylethyl ester
Carbazic acid, tert-butyl ester
tert-Butyl carbazate
(tert-Butoxycarbonyl)hydrazide
(tert-Butyloxycarbonyl)hydrazide
Hydrazinecarboxylic acid tert-butyl ester
(tert-Butoxycarbonyl)hydrazine
1-(tert-Butoxycarbonyl)hydrazine
1,1-Dimethylethyl carbazate
N-(tert-Butoxycarbonyl)hydrazine
tert-Butyl hydrazinecarboxylate
NSC 60250
Hydrazinecarboxylic acid tert-butyl ester
N-Boc-hydrazine
1,1-Dimethylethyl hydrazinecarboxylate
Boc-hydrazine
tert-Butyl N-aminocarbamate
tert-Butyl hydrazinoformate
Identifiers:
SMILES:
CC(C)(C)OC(O)=NN
InChI:
InChI=1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8)
Key Properties
Boiling Point
76 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
124-125.5 °C @ Solvent: Benzene, Ligroine
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.16 g/mol | CAS Common Chemistry |
| 132.16299999999998 g/mol | RDKit | |
| 132.089877624 g/mol | RDKit | |
| Boiling Point | 76 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)(C)C)NN | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=DKACXUFSLUYRFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124-125.5 °C @ Solvent: Benzene, Ligroine | CAS Common Chemistry |
| Name | tert-Butyl carbazate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 0.5892 | RDKit |
| Molar Refractivity | 35.089199999999984 | RDKit |
